SCHEMBL2342293

SCHEMBL2342293

O=C(O)c1ccc(S(F)(F)(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.45
▸ MYC P01106 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ AKR1C3 P42330 5/20 0.43
▸ AKR1C2 P52895 5/20 0.43
▸ PTGS2 P35354 4/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ XDH P47989 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1194373 0.83 TSHR (0.37) TSHRCASP1SMN1; SMN2ALDH1A1MYC
SCHEMBL1194394 0.79 ALDH1A1 (0.42) TSHRCASP1SMN1; SMN2ALDH1A1CA1
SCHEMBL22628276 0.78 AKR1C2 (0.44) TSHRALDH1A1AKR1C3AKR1C2PTGS2
SCHEMBL1194182 0.77 ALDH1A1 (0.53) ALDH1A1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL29377565 0.77 ALDH1A1 (0.53) ALDH1A1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1633725 0.77 RXRB (0.46) ALDH1A1MYCAKR1C3AKR1C2PTGS2
SCHEMBL12392023 0.75 KDM4E (0.41) SMN1; SMN2ALDH1A1CYP1A2KDM4EMAPT
SCHEMBL26979278 0.74 AKR1C2 (0.44) AKR1C3AKR1C2PTGS2PTGS1TAS2R14
SCHEMBL195310 0.74 TSHR (0.63) TSHRCASP1SMN1; SMN2ALDH1A1MYC
SCHEMBL23141189 0.73 PTGS2 (0.43) TSHRAKR1C3AKR1C2PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404893-B2 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-03-26 — — US disclosed
US-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-12-15 — — US disclosed
US-8008352-B2 N-[2-Chloro-4-pentafluorosulfanylbenzoyl]guanidine; ischemia, reperfusion, arrythmia angina pectoris; inhibit the cellular sodium-proton antiporter (Na+/H+ exchanger, NHE); stability, longer half-life in vivo, high bioavailability SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-08-30 — — US disclosed
US-20080200553-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-21 — — US disclosed
US-7375138-B2 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-20 — — US disclosed
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them AVENTIS PHARMA DEUTSHCHLAND GMBH (DE) 2003-11-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080200553-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB TSHR 2387/4885CASP1 1205/4885SMN1; SMN2 2738/4885
US-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB TSHR 2387/4885CASP1 1205/4885SMN1; SMN2 2738/4885
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them TNNI3, TNNT2, SDHB TSHR 2514/4885CASP1 989/4885SMN1; SMN2 2617/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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